SCHEMBL1242079

SCHEMBL1242079

O=C(O)N(Cc1ccccc1)[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.53
KCNH2 Q12809 6/20 0.50
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CXCR3 P49682 2/20 0.40
EPHX2 P34913 1/20 0.40
CYP19A1 P11511 1/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1242838 0.92 KCNA5 (0.62) KCNA5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL1243058 0.82 KCNA5 (0.58) KCNA5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL1243052 0.80 KCNA5 (0.55) KCNA5KCNH2CYP1A2CYP3A4EPHX2
SCHEMBL1242980 0.72 KCNA5 (0.65) KCNA5KCNH2CYP1A2CYP3A4GAA
SCHEMBL1242047 0.72 LMNA (0.46) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4580891 0.72 POLB (0.48) KCNA5KCNH2EPHX2CYP19A1
SCHEMBL1242947 0.72 KCNA5 (0.67) KCNA5KCNH2CYP1A2CYP3A4
SCHEMBL1242823 0.72 KCNA5 (0.67) KCNA5KCNH2CYP1A2CYP3A4
SCHEMBL1376820 0.71 KCNA5 (0.45) KCNA5KCNH2CYP3A4EPHX2CYP19A1
SCHEMBL1243103 0.71 ADAMTS5 (0.41) KCNA5ALDH1A1EPHX2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP claimed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885CYP1A2 2371/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.